ChemSpider 2D Image | N-[2-({6-[(2-Sulfanylethyl)amino]-4-pyrimidinyl}amino)ethyl]propanamide | C11H19N5OS

N-[2-({6-[(2-Sulfanylethyl)amino]-4-pyrimidinyl}amino)ethyl]propanamide

  • Molecular FormulaC11H19N5OS
  • Average mass269.366 Da
  • Monoisotopic mass269.131042 Da
  • ChemSpider ID26329037

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-[2-({6-[(2-Sulfanylethyl)amino]-4-pyrimidinyl}amino)ethyl]propanamid [German] [ACD/IUPAC Name]
N-[2-({6-[(2-Sulfanylethyl)amino]-4-pyrimidinyl}amino)ethyl]propanamide [ACD/IUPAC Name]
N-[2-({6-[(2-Sulfanyléthyl)amino]-4-pyrimidinyl}amino)éthyl]propanamide [French] [ACD/IUPAC Name]
N-[2-({6-[(2-Sulfanylethyl)amino]pyrimidin-4-Yl}amino)ethyl]propanamide
Propanamide, N-[2-[[6-[(2-mercaptoethyl)amino]-4-pyrimidinyl]amino]ethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 601.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.4±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 76.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 4.15
ACD/KOC (pH 5.5): 75.09
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.78
ACD/KOC (pH 7.4): 176.92
Polar Surface Area: 118 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 217.3±3.0 cm3

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